SCHEMBL1052227

SCHEMBL1052227

CCOC(=O)CCCCc1cc(OC)cc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.50
CYP4F2 P78329 2/20 0.49
CYP4A11 Q02928 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CNR1 P21554 10/20 0.48
CNR2 P34972 8/20 0.48
CYP4Z1 Q86W10 1/20 0.48
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALOX5 P09917 1/20 0.44
CYP1A2 P05177 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5276845 0.98 CNR1 (0.50) PTGS2CYP4F2CYP4A11SMN1; SMN2CNR1
SCHEMBL229166 0.95 SMN1; SMN2 (0.50) PTGS2CYP4F2CYP4A11SMN1; SMN2CNR1
SCHEMBL10296729 0.93 PTGS2 (0.47) PTGS2CYP4F2CYP4A11SMN1; SMN2CNR1
SCHEMBL22340197 0.90 PTGS2 (0.44) PTGS2CYP4F2CYP4A11SMN1; SMN2CNR1
SCHEMBL63490 0.89 CYP4F2 (0.56) CYP4F2CYP4A11SMN1; SMN2CYP4Z1ALOX5
SCHEMBL1206811 0.85 HDAC1 (0.64) CYP4F2CYP4A11PPARGPPARAHDAC1
SCHEMBL22340234 0.85 ALOX5 (0.43) PTGS2CYP4F2CYP4A11SMN1; SMN2CYP4Z1
SCHEMBL7999711 0.84 ALOX5 (0.59) CYP4F2CYP4A11CYP4Z1ALOX5
SCHEMBL17274751 0.84 HDAC1 (0.66) PPARGPPARAHDAC1HDAC6
SCHEMBL3675681 0.83 ALOX5 (0.57) CYP4F2CYP4A11CYP4Z1ALOX5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172339-A1 ANGIOGENIC RESORCINOL DERIVATIVES NORTHEASTERN UNIVERSITY (US) 2012-07-05 US disclosed
US-20120172339-A1 ANGIOGENIC RESORCINOL DERIVATIVES NORTHEASTERN UNIVERSITY (US) 2012-07-05 US disclosed
WO-2011006099-A1 ANGIOGENIC RESORCINOL DERIVATIVES NORTHEASTERN UNIVERSITY (US) 2011-01-13 WO disclosed
WO-2011006099-A1 ANGIOGENIC RESORCINOL DERIVATIVES NORTHEASTERN UNIVERSITY (US) 2011-01-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120172339-A1 ANGIOGENIC RESORCINOL DERIVATIVES CNR1, CNR2, KDR PTGS2 587/4885CYP4F2 1209/4885CYP4A11 231/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.